2-methyl-3-propyl-4-trimethoxysilylheptadecan-2-amine

C24H53NO3Si — CID 53482216

IUPAC2-methyl-3-propyl-4-trimethoxysilylheptadecan-2-amine
SMILESCCCCCCCCCCCCCC(C(CCC)C(C)(C)N)[Si](OC)(OC)OC
InChIInChI=1S/C24H53NO3Si/c1-8-10-11-12-13-14-15-16-17-18-19-21-23(29(26-5,27-6)28-7)22(20-9-2)24(3,4)25/h22-23H,8-21,25H2,1-7H3
InChIKeyMWAYZBUNJYRVNY-UHFFFAOYSA-N
MW431.78 g/mol
LogP7.09
Rot. Bonds20

About 2-methyl-3-propyl-4-trimethoxysilylheptadecan-2-amine

2-methyl-3-propyl-4-trimethoxysilylheptadecan-2-amine (PubChem CID 53482216) has the molecular formula C24H53NO3Si and a molecular weight of 431.78 g/mol. Its IUPAC name is 2-methyl-3-propyl-4-trimethoxysilylheptadecan-2-amine.

Molecular Properties

Compound Name2-methyl-3-propyl-4-trimethoxysilylheptadecan-2-amine
PubChem CID53482216
Molecular FormulaC24H53NO3Si
Molecular Weight431.78 g/mol
Exact Mass431.38
IUPAC Name2-methyl-3-propyl-4-trimethoxysilylheptadecan-2-amine
SMILESCCCCCCCCCCCCCC(C(CCC)C(C)(C)N)[Si](OC)(OC)OC
InChIInChI=1S/C24H53NO3Si/c1-8-10-11-12-13-14-15-16-17-18-19-21-23(29(26-5,27-6)28-7)22(20-9-2)24(3,4)25/h22-23H,8-21,25H2,1-7H3
InChIKeyMWAYZBUNJYRVNY-UHFFFAOYSA-N
XLogP7.09
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.78
LogP ≤ 57.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-(1-trimethoxysilylpropyl)heptadecan-2-amine
CID 87122398
4-[methoxy(dimethyl)silyl]-2-methyl-3-propylnonadecan-2-amine chloride
CID 53482219
3-hexyl-2-methylundecan-2-amine
CID 89005835
3-ethyl-2-methylnonan-2-amine
CID 175488413
1-trimethoxysilyloctan-1-amine
CID 87463125
3-ethyl-2-methylnonadecan-2-amine;hydrobromide
CID 173248519
4-ethylnonadecan-3-yl(trimethoxy)silane
CID 88743379
3-(2-aminopropan-2-yl)nonan-2-ol
CID 87504447
3-methoxy-2-methylheptadecan-2-amine;hydrochloride
CID 173397461
9-tert-butylhenicosane
CID 150708915
4,4-dimethoxy-5-propyltridecane
CID 151317508
2-(2-methoxypropan-2-yl)decan-1-amine
CID 150082412

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-propyl-4-trimethoxysilylheptadecan-2-amine?
The IUPAC name of 2-methyl-3-propyl-4-trimethoxysilylheptadecan-2-amine (CID 53482216) is 2-methyl-3-propyl-4-trimethoxysilylheptadecan-2-amine.
What is the SMILES notation for 2-methyl-3-propyl-4-trimethoxysilylheptadecan-2-amine?
The canonical SMILES for 2-methyl-3-propyl-4-trimethoxysilylheptadecan-2-amine is CCCCCCCCCCCCCC(C(CCC)C(C)(C)N)[Si](OC)(OC)OC.
What is the InChIKey of 2-methyl-3-propyl-4-trimethoxysilylheptadecan-2-amine?
The InChIKey is MWAYZBUNJYRVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H53NO3Si/c1-8-10-11-12-13-14-15-16-17-18-19-21-23(29(26-5,27-6)28-7)22(20-9-2)24(3,4)25/h22-23H,8-21,25H2,1-7H3.
What are the key properties of 2-methyl-3-propyl-4-trimethoxysilylheptadecan-2-amine?
2-methyl-3-propyl-4-trimethoxysilylheptadecan-2-amine has a molecular weight of 431.78 g/mol, XLogP of 7.09, 20 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-propyl-4-trimethoxysilylheptadecan-2-amine is sourced from PubChem (CID 53482216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).